Geometry & MOs

Info

ID:

116446

PubChem CID:

50560814

Reduced:

Cl2O4N5C26H31 (1)

Stoich.:

A2B4C5D26E31 (1)

Weight, g/mol:

647.267461

ΔHf, kcal/mol:

-155.79

Dipole, Da:

6.1

IP(EA), eV:

 -9.03(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)Cl

DOS

IR

Vibrations